Design, synthesis and structural exploration of novel fluorinated dabigatran derivatives as direct thrombin inhibitors

Twenty-one fluorinated dabigatran derivatives were designed based on the bioisosteric principle. All derivatives were synthesised and evaluated for their thrombin inhibitory activity in vitro. Among these compounds, 14h, 14m, 14s and 14t were potent and the activity was in the range of reference dru...

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Bibliographic Details
Published in:	European journal of medicinal chemistry Vol. 96; pp. 122 - 138
Main Authors:	Li, Mei-Lin, Ren, Yu-Jie, Dong, Ming-Hui, Ren, Wei-Xin
Format:	Journal Article
Language:	English
Published:	ISSY-LES-MOULINEAUX Elsevier Masson SAS 26.05.2015 Elsevier
Subjects:	Animals Anticoagulant activity Anticoagulants - chemical synthesis Anticoagulants - chemistry Anticoagulants - pharmacology Antithrombins - chemical synthesis Antithrombins - chemistry Antithrombins - pharmacology Blood Coagulation - drug effects Chemistry, Medicinal Computer-aided simulation Dabigatran - chemistry Dabigatran - pharmacology Dose-Response Relationship, Drug Drug Design Fluorinated dabigatran derivatives Humans Hydrocarbons, Fluorinated - chemical synthesis Hydrocarbons, Fluorinated - chemistry Hydrocarbons, Fluorinated - pharmacology Life Sciences & Biomedicine Molecular Structure Pharmacology & Pharmacy Platelet Aggregation - drug effects Rats Rats, Sprague-Dawley Science & Technology Structure-Activity Relationship Synthesis Thrombin - antagonists & inhibitors Thrombin - metabolism PCHLJHIZYCJIRV-UHFFFAOYSA-N VOUZBDCMLRKPJO-UHFFFAOYSA-N Fluorinated dabigatran derivatives Anticoagulant activity VXHVCHCIBLEMEP-UHFFFAOYSA-N Synthesis GEKYNTRKYSTSLA-UHFFFAOYSA-N VAVOSXMRECUDQH-UHFFFAOYSA-N KRSAIDAGFIQHKH-UHFFFAOYSA-N BOTCGBVIRXRCMV-UHFFFAOYSA-N OOAZYCAGKGLCBH-UHFFFAOYSA-N MGYJAWXXBHSYJR-UHFFFAOYSA-N YWELKWQVPBDJPT-UHFFFAOYSA-N CROWVEKUOCYWCS-UHFFFAOYSA-N XTYGSCUQCSCHAX-UHFFFAOYSA-N OTENLGUOGPNQJN-UHFFFAOYSA-N YAJKHBQWDQUNJH-UHFFFAOYSA-N FKEYMTIYCZZRMZ-UHFFFAOYSA-N IXZRETUOHYOMNR-UHFFFAOYSA-N DIDZBBLRDSTKCE-UHFFFAOYSA-N LWEUEDJYLBHXAZ-UHFFFAOYSA-N Computer-aided simulation BPSNCXSWJKHOLW-UHFFFAOYSA-N MADJUFXLRYLAOT-UHFFFAOYSA-N FYWSZWQUPJQUBF-UHFFFAOYSA-N ZLPRAKFLAXBDOM-UHFFFAOYSA-N LYJLSFCGAWKCDC-UHFFFAOYSA-N MEDICINAL CHEMISTRY XIMELAGATRAN IN-VITRO POTENT STROKE PREVENTION ORAL ANTICOAGULANTS ETEXILATE
ISSN:	0223-5234, 1768-3254
Online Access:	Get full text
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